4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one

C12H19N3O — CID 82443123

IUPAC4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(CNC2CC2)c(=O)n(C)n1
InChIInChI=1S/C12H19N3O/c1-8(2)11-6-9(7-13-10-4-5-10)12(16)15(3)14-11/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyLGOMEPUNYXDDHU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.16
Rot. Bonds4

About 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one

4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one (PubChem CID 82443123) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
PubChem CID82443123
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(CNC2CC2)c(=O)n(C)n1
InChIInChI=1S/C12H19N3O/c1-8(2)11-6-9(7-13-10-4-5-10)12(16)15(3)14-11/h6,8,10,13H,4-5,7H2,1-3H3
InChIKeyLGOMEPUNYXDDHU-UHFFFAOYSA-N
XLogP1.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
4-[(butan-2-ylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443126
4-(bromomethyl)-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443132
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
2-butyl-4-[(cyclopentylamino)methyl]-6-methylpyridazin-3-one
CID 82442927
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopropanamine
CID 82448545
4-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 60958007
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62490188
N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 62720879
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]thian-4-amine
CID 115614407
3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
CID 82521328
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one (CID 82443123) is 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one is CC(C)c1cc(CNC2CC2)c(=O)n(C)n1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
The InChIKey is LGOMEPUNYXDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)11-6-9(7-13-10-4-5-10)12(16)15(3)14-11/h6,8,10,13H,4-5,7H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one?
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).